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CHEBI:158895 - Ile-Val-Asp

ChEBI IDCHEBI:158895
ChEBI NameIle-Val-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N3O6
Net Charge0
Average Mass345.396
Monoisotopic Mass345.18999
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C15H27N3O6/c1-5-8(4)11(16)13(21)18-12(7(2)3)14(22)17-9(15(23)24)6-10(19)20/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,11-,12-/m0/s1
InChIKeyBCISUQVFDGYZBO-QSFUFRPTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-Val-Asp (CHEBI:158895) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
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